2-ethenyloxan-3-amine;hydrochloride

C7H14ClNO — CID 122236366

IUPAC2-ethenyloxan-3-amine;hydrochloride
SMILESC=CC1OCCCC1N.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-7-6(8)4-3-5-9-7;/h2,6-7H,1,3-5,8H2;1H
InChIKeyCUURQHICNSVUBS-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.10
Rot. Bonds1

About 2-ethenyloxan-3-amine;hydrochloride

2-ethenyloxan-3-amine;hydrochloride (PubChem CID 122236366) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-ethenyloxan-3-amine;hydrochloride.

Molecular Properties

Compound Name2-ethenyloxan-3-amine;hydrochloride
PubChem CID122236366
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-ethenyloxan-3-amine;hydrochloride
SMILESC=CC1OCCCC1N.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-7-6(8)4-3-5-9-7;/h2,6-7H,1,3-5,8H2;1H
InChIKeyCUURQHICNSVUBS-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyloxan-3-amine;hydrochloride?
The IUPAC name of 2-ethenyloxan-3-amine;hydrochloride (CID 122236366) is 2-ethenyloxan-3-amine;hydrochloride.
What is the SMILES notation for 2-ethenyloxan-3-amine;hydrochloride?
The canonical SMILES for 2-ethenyloxan-3-amine;hydrochloride is C=CC1OCCCC1N.Cl.
What is the InChIKey of 2-ethenyloxan-3-amine;hydrochloride?
The InChIKey is CUURQHICNSVUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-2-7-6(8)4-3-5-9-7;/h2,6-7H,1,3-5,8H2;1H.
What are the key properties of 2-ethenyloxan-3-amine;hydrochloride?
2-ethenyloxan-3-amine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyloxan-3-amine;hydrochloride is sourced from PubChem (CID 122236366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).